SMIRKS
[H][O:5][C:4]([C:3](=[C:2]([C:1]([H:128])([H:129])[H:130])[C:6]([C:7]([C:8]([C@:9]([C:10]([H:95])([H:96])[H:97])([C:11]([C:12]([C:13]([C@:14]([C:15]([H:98])([H:99])[H:100])([C:16]([C:17]([C:18]([C:19]([C:20]([H:101])([H:102])[H:103])([C:21]([H:104])([H:105])[H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])[H:94])([H:92])[H:93]>>[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)[O:5][C:4]([C:3](=[C:2]([C:1]([H:128])([H:129])[H:130])[C:6]([C:7]([C:8]([C@:9]([C:10]([H:95])([H:96])[H:97])([C:11]([C:12]([C:13]([C@:14]([C:15]([H:98])([H:99])[H:100])([C:16]([C:17]([C:18]([C:19]([C:20]([H:101])([H:102])[H:103])([C:21]([H:104])([H:105])[H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])[H:94])([H:92])[H:93]
Derived Operators
EVODEX.1-F24 - Elemental Balance
| O | 1 |
| C | 20 |
| H | 38 |
EVODEX.1-M198 - Mass Difference
294.29244
EVODEX.1-E465 - Reaction Operator E
[#6:20]-[#8:21]-[H]>>[#6:20]-[#8:21]-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8]
EVODEX.1-C322 - Reaction Operator C
[H]-[#8:5]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:5]
EVODEX.1-N373 - Reaction Operator N
[H]-[#8:5]-[#6:4]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8:5]-[#6:4]
Source Full Reactions
EVODEX.1-R2579
[H][O:5][C:4]([C:3](=[C:2]([C:1]([H:128])([H:129])[H:130])[C:6]([C:7]([C:8]([C@:9]([C:10]([H:95])([H:96])[H:97])([C:11]([C:12]([C:13]([C@:14]([C:15]([H:98])([H:99])[H:100])([C:16]([C:17]([C:18]([C:19]([C:20]([H:101])([H:102])[H:103])([C:21]([H:104])([H:105])[H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])[H:94])([H:92])[H:93].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([C:38]([C:39]([C:40]([C:41](=[O:42])[S:43][C:44]([C:45]([N:46]([C:47](=[O:48])[C:49]([C:50]([N:51]([C:52](=[O:53])[C@:54]([O:55][H:131])([C:56]([C:57]([H:132])([H:133])[H:134])([C:58]([H:135])([H:136])[H:137])[C:59]([O:60][P:61](=[O:62])([O:63][H:138])[O:64][P:65](=[O:66])([O:67][H:139])[O:68][C:69]([C@@:70]1([H:140])[O:71][C@:72]([N:73]2:[C:74]([H:141]):[N:75]:[C:76]3:[C:77]([N:78]([H:142])[H:143]):[N:79]:[C:80]([H:144]):[N:81]:[C:82]:2:3)([H:145])[C@@:83]([O:84][H:146])([H:147])[C@@:85]1([O:86][P:87](=[O:88])([O:89][H:148])[O:90][H:149])[H:150])([H:151])[H:152])([H:153])[H:154])[H:155])[H:156])([H:157])[H:158])([H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165])([H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([H:178])[H:179])([H:180])[H:181])([H:182])[H:183])([H:184])[H:185])([H:186])[H:187])([H:188])[H:189])([H:190])[H:191])([H:192])[H:193])([H:194])[H:195])([H:196])[H:197])([H:198])[H:199])([H:200])[H:201])([H:202])([H:203])[H:204]>>[C:1]([C:2](=[C:3]([C:4]([O:5][C:41]([C:40]([C:39]([C:38]([C:37]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:202])([H:203])[H:204])([H:200])[H:201])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])=[O:42])([H:92])[H:93])[H:94])[C:6]([C:7]([C:8]([C@:9]([C:10]([H:95])([H:96])[H:97])([C:11]([C:12]([C:13]([C@:14]([C:15]([H:98])([H:99])[H:100])([C:16]([C:17]([C:18]([C:19]([C:20]([H:101])([H:102])[H:103])([C:21]([H:104])([H:105])[H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[H:120])[H:121])([H:122])[H:123])([H:124])[H:125])([H:126])[H:127])([H:128])([H:129])[H:130].[H][S:43][C:44]([C:45]([N:46]([C:47](=[O:48])[C:49]([C:50]([N:51]([C:52](=[O:53])[C@:54]([O:55][H:131])([C:56]([C:57]([H:132])([H:133])[H:134])([C:58]([H:135])([H:136])[H:137])[C:59]([O:60][P:61](=[O:62])([O:63][H:138])[O:64][P:65](=[O:66])([O:67][H:139])[O:68][C:69]([C@@:70]1([H:140])[O:71][C@:72]([N:73]2:[C:74]([H:141]):[N:75]:[C:76]3:[C:77]([N:78]([H:142])[H:143]):[N:79]:[C:80]([H:144]):[N:81]:[C:82]:2:3)([H:145])[C@@:83]([O:84][H:146])([H:147])[C@@:85]1([O:86][P:87](=[O:88])([O:89][H:148])[O:90][H:149])[H:150])([H:151])[H:152])([H:153])[H:154])[H:155])[H:156])([H:157])[H:158])([H:159])[H:160])[H:161])([H:162])[H:163])([H:164])[H:165]